2-amino-N-[(1-methylpyrazol-3-yl)methyl]-4-methylsulfonylbutanamide

C10H18N4O3S — CID 82881520

IUPAC2-amino-N-[(1-methylpyrazol-3-yl)methyl]-4-methylsulfonylbutanamide
SMILESCn1ccc(CNC(=O)C(N)CCS(C)(=O)=O)n1
InChIInChI=1S/C10H18N4O3S/c1-14-5-3-8(13-14)7-12-10(15)9(11)4-6-18(2,16)17/h3,5,9H,4,6-7,11H2,1-2H3,(H,12,15)
InChIKeyQGWATRDVEZETMS-UHFFFAOYSA-N
MW274.35 g/mol
LogP-1.20
Rot. Bonds6

About 2-amino-N-[(1-methylpyrazol-3-yl)methyl]-4-methylsulfonylbutanamide

2-amino-N-[(1-methylpyrazol-3-yl)methyl]-4-methylsulfonylbutanamide (PubChem CID 82881520) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-amino-N-[(1-methylpyrazol-3-yl)methyl]-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(1-methylpyrazol-3-yl)methyl]-4-methylsulfonylbutanamide
PubChem CID82881520
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC Name2-amino-N-[(1-methylpyrazol-3-yl)methyl]-4-methylsulfonylbutanamide
SMILESCn1ccc(CNC(=O)C(N)CCS(C)(=O)=O)n1
InChIInChI=1S/C10H18N4O3S/c1-14-5-3-8(13-14)7-12-10(15)9(11)4-6-18(2,16)17/h3,5,9H,4,6-7,11H2,1-2H3,(H,12,15)
InChIKeyQGWATRDVEZETMS-UHFFFAOYSA-N
XLogP-1.20
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-amino-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 82873249
(2S)-2-amino-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 82882870
2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 19329164
2-bromo-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 107905639
2-methoxy-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 115870664
2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]-3-oxopropanoic acid
CID 114898886
2-amino-4-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 61284119
2-amino-4-methylsulfonyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 119956480
[4-[[[(2S)-2-amino-4-methylsulfonylbutanoyl]amino]methyl]phenyl]carbamic acid
CID 146417937
2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 82874484
2-chloro-N-[(1-methylpyrazol-3-yl)methylcarbamoyl]propanamide
CID 82873706
1-methyl-3-[(sulfamoylamino)methyl]pyrazole
CID 112548279

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-methylpyrazol-3-yl)methyl]-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-[(1-methylpyrazol-3-yl)methyl]-4-methylsulfonylbutanamide (CID 82881520) is 2-amino-N-[(1-methylpyrazol-3-yl)methyl]-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-[(1-methylpyrazol-3-yl)methyl]-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-[(1-methylpyrazol-3-yl)methyl]-4-methylsulfonylbutanamide is Cn1ccc(CNC(=O)C(N)CCS(C)(=O)=O)n1.
What is the InChIKey of 2-amino-N-[(1-methylpyrazol-3-yl)methyl]-4-methylsulfonylbutanamide?
The InChIKey is QGWATRDVEZETMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-14-5-3-8(13-14)7-12-10(15)9(11)4-6-18(2,16)17/h3,5,9H,4,6-7,11H2,1-2H3,(H,12,15).
What are the key properties of 2-amino-N-[(1-methylpyrazol-3-yl)methyl]-4-methylsulfonylbutanamide?
2-amino-N-[(1-methylpyrazol-3-yl)methyl]-4-methylsulfonylbutanamide has a molecular weight of 274.35 g/mol, XLogP of -1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-methylpyrazol-3-yl)methyl]-4-methylsulfonylbutanamide is sourced from PubChem (CID 82881520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).